SCHEMBL4048376

SCHEMBL4048376

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 1/20 0.38
PIK3CD O00329 1/20 0.37
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
HSD11B1 P28845 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4044693 0.90 CTSK (0.42) CTSKCTSSPIK3CDALDH1A1
SCHEMBL4050761 0.89 PIK3CD (0.42) CTSKPIK3CDCNR2ALDH1A1
SCHEMBL4043459 0.88 CTSK (0.41) CTSKALDH1A1
SCHEMBL4049285 0.88 CTSK (0.41) CTSKCTSS
SCHEMBL4040766 0.87 CTSK (0.40) CTSKCTSSALDH1A1
SCHEMBL4044247 0.86 CTSK (0.39) CTSKALDH1A1
SCHEMBL4042992 0.85 CTSK (0.39) CTSKALDH1A1
SCHEMBL4044452 0.85 CTSK (0.39) CTSK
SCHEMBL4228919 0.84 CTSK (0.38) CTSK
SCHEMBL4049235 0.83 TSHR (0.38) CTSKHSD11B1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885PIK3CD 4141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.